K699-0057 Screening compound: ethyl 4-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate

K699-0057 Screening compound: ethyl 4-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate
K699-0057 Screening compound: ethyl 4-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K699-0057
ethyl 4-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K699-0057

Molecular Formula

C19H21NO6 (C19 H21 NO6)

Compound Name

ethyl 4-[({2,4-dioxo-1,5-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate

IUPAC name

ethyl 4-[({24-dioxo-15-dioxaspiro[5.5]undecan-3-ylidene}methyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC=C(C(OC1(CCCCC1)O1)=O)C1=O)=O

InChI

InChI=1S/C19H21NO6/c1-2-24-16(21)13-6-8-14(9-7-13)20-12-15-17(22)25-19(26-18(15)23)10-4-3-5-11-19/h6-9,12,20H,2-5,10-11H2,1H3

InChI Key

MQPIFLDFZUCYGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.264

Distribution Coefficient, logD

2.572

Water Solubility, LogSw

-3.32

Polar Surface Area

72.684

Acid Dissociation Constant (pKa)

6.81

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

K699-0057 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K699-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K699-0057?
Check Price and Availability of K699-0057, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K699-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K699-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K699-0057
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K699-0057 available by request